(2S,3R)-2-azaniumyl-3-(2,6-dimethyl-4-oxidanyl-phenyl)-4-methyl-pentanoate

Systemtic Name: (2S,3R)-2-azaniumyl-3-(2,6-dimethyl-4-oxidanyl-phenyl)-4-methyl-pentanoate Openeye Name: (2S,3R)-2-azaniumyl-3-(4-hydroxy-2,6-dimethyl-phenyl)-4-methyl-pentanoate CAS Name: (2S,3R)-2-ammonio-3-(4-hydroxy-2,6-dimethylphenyl)-4-methylpentanoate IUPAC Name: (2S,3R)-2-azaniumyl-3-(4-hydroxy-2,6-dimethylphenyl)-4-methylpentanoate Traditional Name: (2S,3R)-2-ammonio-3-(4-hydroxy-2,6-dimethyl-phenyl)-4-methyl-valerate Formula: C14H21NO3 MolecularWeight: 251.32144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C(C(C)C)C(C(=O)[O-])[NH3+])C)O

Isomeric SMILES

CC1=CC(=CC(=C1[C@H]([C@@H](C(=O)[O-])[NH3+])C(C)C)C)O

InChI

InChI=1S/C14H21NO3/c1-7(2)11(13(15)14(17)18)12-8(3)5-10(16)6-9(12)4/h5-7,11,13,16H,15H2,1-4H3,(H,17,18)/t11-,13+/m1/s1